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1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide

Formula:C25H26N9O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormulaC25H26N9O3Cl
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc2cccc(Cl)c2)=O)c1CN1CCCCC1
InChIInChI=1S/C25H26ClN9O3/c26-19-6-4-5-18(13-19)16-37-20-9-7-17(8-10-20)14-28-30-25(36)22-21(15-34-11-2-1-3-12-34)35(33-29-22)24-23(27)31-38-32-24/h4-10,13-14H,1-3,11-12,15-16H2,(H2,27,31)(H,30,36)
InChIKKVDIZLAAVIJWGR-UHFFFAOYSA-N
TotalMolweight535.994
Molweight535.994
MonoisotopicMass535.184713
CLogP4.4594
CLogS-3.999
H Acceptors12
H Donors2
TotalSurfaceArea407.5
Relative PSA0.31826
PolarSurfaceArea149.58
Druglikeness1.5558
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55263
Fragments1
Non HAtoms38
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Symmetricatoms4
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

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